2-methoxy-9,10-dihydrophenanthrene-4,5-diol

C15H14O3 — CID 11506999

IUPAC2-methoxy-9,10-dihydrophenanthrene-4,5-diol
SMILESCOc1cc(O)c2c(c1)CCc1cccc(O)c1-2
InChIInChI=1S/C15H14O3/c1-18-11-7-10-6-5-9-3-2-4-12(16)14(9)15(10)13(17)8-11/h2-4,7-8,16-17H,5-6H2,1H3
InChIKeyKQMGXHNRKZYDEK-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.87
Rot. Bonds1

About 2-methoxy-9,10-dihydrophenanthrene-4,5-diol

2-methoxy-9,10-dihydrophenanthrene-4,5-diol (PubChem CID 11506999) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-methoxy-9,10-dihydrophenanthrene-4,5-diol.

Molecular Properties

Compound Name2-methoxy-9,10-dihydrophenanthrene-4,5-diol
PubChem CID11506999
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-methoxy-9,10-dihydrophenanthrene-4,5-diol
SMILESCOc1cc(O)c2c(c1)CCc1cccc(O)c1-2
InChIInChI=1S/C15H14O3/c1-18-11-7-10-6-5-9-3-2-4-12(16)14(9)15(10)13(17)8-11/h2-4,7-8,16-17H,5-6H2,1H3
InChIKeyKQMGXHNRKZYDEK-UHFFFAOYSA-N
XLogP2.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11499706
10-(4,5-dihydroxy-2-methoxy-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-10H-anthracen-9-one
CID 162871582
5-hydroxy-3,7-dimethoxy-9,10-dihydrophenanthrene-1,4-dione
CID 23251767
3,5,7-trimethoxy-9,10-dihydrophenanthren-2-ol
CID 71437517
6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 11985892
5,7-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol
CID 10446799
7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
CID 102526280
(10R)-10-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
CID 162887105
3-amino-2-(3,5-dimethoxyphenyl)phenol
CID 22173860
8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
CID 102026936
14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
CID 11196307
18-hydroxy-16-methoxy-5,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,9,10-tetrone
CID 91610868

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9,10-dihydrophenanthrene-4,5-diol?
The IUPAC name of 2-methoxy-9,10-dihydrophenanthrene-4,5-diol (CID 11506999) is 2-methoxy-9,10-dihydrophenanthrene-4,5-diol.
What is the SMILES notation for 2-methoxy-9,10-dihydrophenanthrene-4,5-diol?
The canonical SMILES for 2-methoxy-9,10-dihydrophenanthrene-4,5-diol is COc1cc(O)c2c(c1)CCc1cccc(O)c1-2.
What is the InChIKey of 2-methoxy-9,10-dihydrophenanthrene-4,5-diol?
The InChIKey is KQMGXHNRKZYDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-11-7-10-6-5-9-3-2-4-12(16)14(9)15(10)13(17)8-11/h2-4,7-8,16-17H,5-6H2,1H3.
What are the key properties of 2-methoxy-9,10-dihydrophenanthrene-4,5-diol?
2-methoxy-9,10-dihydrophenanthrene-4,5-diol has a molecular weight of 242.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9,10-dihydrophenanthrene-4,5-diol is sourced from PubChem (CID 11506999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).